7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline

C17H9ClF3N3S — CID 11696571

IUPAC7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline
SMILESFC(F)(F)c1cc(-c2cccs2)nn1-c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H9ClF3N3S/c18-10-3-4-11-12(8-10)22-6-5-14(11)24-16(17(19,20)21)9-13(23-24)15-2-1-7-25-15/h1-9H
InChIKeyRMPKKEIGBVZZIO-UHFFFAOYSA-N
MW379.79 g/mol
LogP5.82
Rot. Bonds2

About 7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline

7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline (PubChem CID 11696571) has the molecular formula C17H9ClF3N3S and a molecular weight of 379.79 g/mol. Its IUPAC name is 7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline
PubChem CID11696571
Molecular FormulaC17H9ClF3N3S
Molecular Weight379.79 g/mol
Exact Mass379.02
IUPAC Name7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline
SMILESFC(F)(F)c1cc(-c2cccs2)nn1-c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H9ClF3N3S/c18-10-3-4-11-12(8-10)22-6-5-14(11)24-16(17(19,20)21)9-13(23-24)15-2-1-7-25-15/h1-9H
InChIKeyRMPKKEIGBVZZIO-UHFFFAOYSA-N
XLogP5.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.79
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-7-chloroquinoline
CID 11597637
4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline
CID 70179071
3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde
CID 91396738
7-chloro-4-[4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]quinoline
CID 170974269
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432
6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridine
CID 123140199
7-chloro-4-(2H-pyrimidin-1-yl)quinoline
CID 66921299
5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
CID 57160963
N-[(3-chlorophenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46368237
N-(3-chlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1079601
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline (CID 11696571) is 7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline is FC(F)(F)c1cc(-c2cccs2)nn1-c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline?
The InChIKey is RMPKKEIGBVZZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N3S/c18-10-3-4-11-12(8-10)22-6-5-14(11)24-16(17(19,20)21)9-13(23-24)15-2-1-7-25-15/h1-9H.
What are the key properties of 7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline?
7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline has a molecular weight of 379.79 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline is sourced from PubChem (CID 11696571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).